pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.4	Datawarrior	1	0	O=C1NC(=[OH+])C(=O)[C@@H]1c1ccccc1,O=C1NC(=O)[C@@H](c2ccccc2)C1=[OH+]	O=C1NC(=O)[C@@H](c2ccccc2)C1=O	mol13448	O=C1NC(=O)C(c2ccccc2)C1=O
3.4000001	OCHEM	1	0	O=C1NC(=[OH+])C(=O)[C@@H]1c1ccccc1,O=C1NC(=O)[C@@H](c2ccccc2)C1=[OH+]	O=C1NC(=O)[C@@H](c2ccccc2)C1=O	mol13448	O=C1NC(=O)C(c2ccccc2)C1=O
3.27999997138977	QSARToolbox	1	0	O=C1NC(=[OH+])C(=O)[C@@H]1c1ccccc1,O=C1NC(=O)[C@@H](c2ccccc2)C1=[OH+]	O=C1NC(=O)[C@@H](c2ccccc2)C1=O	mol13448	O=C1NC(=O)C(c2ccccc2)C1=O